2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C23H22ClN5O2 — CID 165016878

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1cc(OCC(=O)NC23CC(Nc4cncc(-c5cccnc5)n4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H22ClN5O2/c1-15-7-17(4-5-18(15)24)31-11-21(30)29-23-12-22(13-23,14-23)28-20-10-26-9-19(27-20)16-3-2-6-25-8-16/h2-10H,11-14H2,1H3,(H,27,28)(H,29,30)
InChIKeyNQXVSBKPTGFBIG-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.78
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 165016878) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID165016878
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1cc(OCC(=O)NC23CC(Nc4cncc(-c5cccnc5)n4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H22ClN5O2/c1-15-7-17(4-5-18(15)24)31-11-21(30)29-23-12-22(13-23,14-23)28-20-10-26-9-19(27-20)16-3-2-6-25-8-16/h2-10H,11-14H2,1H3,(H,27,28)(H,29,30)
InChIKeyNQXVSBKPTGFBIG-UHFFFAOYSA-N
XLogP3.78
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192849
Pyrazine-Pyridine Biheteroaryl 48
CID 5330376
Pyrazine-Pyridine Biheteroaryl 60
CID 5330385
2-(4-cyanophenoxy)-N-[5-(pyrazin-2-yl)pyridin-2-yl]acetamide
CID 122192861
2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192863
2-(4-Chloro-3-methylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one
CID 16015788
2-naphthalen-2-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192853
2-(6-methoxynaphthalen-2-yl)oxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192859
N-(5-(2-chloro-5-cyclopropoxyphenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 70978019
N-(5-(2-chloro-5-isopropoxyphenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 70979026
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2604777
3-(3-chlorophenoxy)-N-[5-(3-methylphenyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide
CID 172437920

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 165016878) is 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1cc(OCC(=O)NC23CC(Nc4cncc(-c5cccnc5)n4)(C2)C3)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is NQXVSBKPTGFBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-15-7-17(4-5-18(15)24)31-11-21(30)29-23-12-22(13-23,14-23)28-20-10-26-9-19(27-20)16-3-2-6-25-8-16/h2-10H,11-14H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 435.92 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 165016878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).